6-chloranyl-3-(2-methylpropyl)-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylpropyl)-2-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-3-(2-methylpropyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylthio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylpropyl)-2-[1-(4-oxo-1H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[1-(4-keto-1H-quinazolin-2-yl)ethylthio]quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H21ClN4O2S/c1-12(2)11-27-21(29)16-10-14(23)8-9-18(16)25-22(27)30-13(3)19-24-17-7-5-4-6-15(17)20(28)26-19/h4-10,12-13H,11H2,1-3H3,(H,24,26,28)